UCSF

ZINC34824217

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 19 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) 0.97 7.41 -97.81 3 5 2 42 267.421 5
Hi High (pH 8-9.5) 0.97 3.79 -3.99 1 5 0 36 265.405 5
Mid Mid (pH 6-8) 0.97 5.17 -37.85 2 5 1 41 266.413 5

Activity (Go SEA)

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