UCSF

ZINC44647697

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) 1.42 7.73 -49.88 3 5 1 64 273.36 7
Hi High (pH 8-9.5) 1.42 6.39 -13.53 2 5 0 59 272.352 7
Mid Mid (pH 6-8) 1.42 8.25 -91.31 4 5 2 65 274.368 7

Activity (Go SEA)

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