UCSF

ZINC45664225

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 1.10 4.05 -90.1 4 3 2 35 217.401 10
Mid Mid (pH 6-8) 1.10 6.51 -173.28 5 3 3 37 218.409 10
Mid Mid (pH 6-8) 1.10 4.4 -83.81 4 3 2 35 217.401 10

Activity (Go SEA)

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