UCSF

ZINC19636579

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 2.53 6.86 -31.35 1 3 1 17 251.394 8
Mid Mid (pH 6-8) 2.53 6.7 -33.44 1 3 1 17 251.394 8

Activity (Go SEA)

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