UCSF

ZINC00183627

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 3.99 0.24 -10.53 0 2 0 17 301.187 2
Mid Mid (pH 6-8) 0.58 0.4 -32.6 1 2 1 19 302.195 2

Activity (Go SEA)

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