UCSF

ZINC23560672

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 27 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) -0.28 4.84 -15.93 2 9 0 119 391.453 8
Mid Mid (pH 6-8) 0.18 3.05 -57.06 1 9 -1 122 390.445 8

Activity (Go SEA)

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