UCSF

ZINC45658854

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 5.03 -25.51 3 3 1 34 254.442 7
Hi High (pH 8-9.5) 1.79 4.18 -43.55 3 3 1 34 254.442 7
Hi High (pH 8-9.5) 1.79 5.27 -32.21 3 3 1 34 254.442 7
Mid Mid (pH 6-8) 1.79 7.12 -95.87 4 3 2 35 255.45 7
Mid Mid (pH 6-8) 1.79 5.51 -120.75 4 3 2 35 255.45 7
Lo Low (pH 4.5-6) 1.79 5.94 -103.45 4 3 2 35 255.45 7
Lo Low (pH 4.5-6) 1.79 7.48 -219.99 5 3 3 37 256.458 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )