UCSF

ZINC36788783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 1.76 3.52 -24.72 3 3 1 34 254.442 5
Hi High (pH 8-9.5) 1.76 6.42 -29.35 3 3 1 34 254.442 5
Mid Mid (pH 6-8) 1.76 6.31 -97.09 4 3 2 35 255.45 5
Lo Low (pH 4.5-6) 1.76 6.03 -196.56 5 3 3 37 256.458 5

Activity (Go SEA)

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