UCSF

ZINC34669121

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 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) 1.95 5.36 -10.42 1 5 0 48 360.458 5
Mid Mid (pH 6-8) 1.95 7.59 -55.13 2 5 1 50 361.466 5

Activity (Go SEA)

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