UCSF

ZINC45429320

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2010 21 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) 0.08 4.35 -19.17 0 6 0 58 306.391 2
Mid Mid (pH 6-8) 0.08 6.51 -46.39 1 6 1 59 307.399 2
Lo Low (pH 4.5-6) 0.08 6.99 -96.91 2 6 2 60 308.407 2

Activity (Go SEA)

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