UCSF

ZINC45628371

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.81 6.28 -31.14 3 4 1 69 213.264 1
Mid Mid (pH 6-8) 1.81 6.2 -11.33 2 4 0 68 212.256 1

Activity (Go SEA)

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