UCSF

ZINC31903358

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 29 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) 3.91 10.25 -16.67 0 6 0 57 393.487 7
Mid Mid (pH 6-8) 3.91 10.74 -33.9 1 6 1 58 394.495 7

Activity (Go SEA)

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