UCSF

ZINC36929917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 No

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) 1.35 7.55 -45.87 1 3 1 25 253.753 2
Mid Mid (pH 6-8) 1.35 5.2 -9.39 0 3 0 24 252.745 2

Activity (Go SEA)

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