UCSF

ZINC42253372

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 0.04 2.3 -41.82 4 7 1 95 254.314 4
Mid Mid (pH 6-8) 0.49 0.64 -49.48 3 7 0 98 253.306 4

Activity (Go SEA)

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