UCSF

ZINC45663231

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.88 4.55 -39.78 4 5 1 63 293.435 8
Mid Mid (pH 6-8) 1.88 5.02 -36.41 4 5 1 63 293.435 8
Lo Low (pH 4.5-6) 1.88 7 -118.9 5 5 2 64 294.443 8

Activity (Go SEA)

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