UCSF

ZINC37078629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 0.16 5.19 -30.79 3 2 1 30 193.314 4
Mid Mid (pH 6-8) 0.16 5.51 -111.17 4 2 2 32 194.322 4
Mid Mid (pH 6-8) 0.16 3.67 -38.72 3 2 1 31 193.314 4

Activity (Go SEA)

Rings

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