UCSF

ZINC45658852

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 4.3 -27.15 3 3 1 34 254.442 7
Hi High (pH 8-9.5) 1.79 3.14 -40.97 3 3 1 34 254.442 7
Hi High (pH 8-9.5) 1.79 5.2 -29.79 3 3 1 34 254.442 7
Mid Mid (pH 6-8) 1.79 6.94 -96.5 4 3 2 35 255.45 7
Mid Mid (pH 6-8) 1.79 4.8 -118.9 4 3 2 35 255.45 7
Lo Low (pH 4.5-6) 1.79 5.49 -108.33 4 3 2 35 255.45 7
Lo Low (pH 4.5-6) 1.79 7.27 -226.09 5 3 3 37 256.458 7

Activity (Go SEA)

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