UCSF

ZINC36977504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 0.63 4.9 -40.97 3 6 1 79 311.431 5
Mid Mid (pH 6-8) 0.63 4.64 -15.7 2 6 0 74 310.423 5

Activity (Go SEA)

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