UCSF

ZINC45660193

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.26 3.43 -33.75 3 3 1 37 241.399 4
Lo Low (pH 4.5-6) 2.26 4.91 -104.9 4 3 2 41 242.407 4
Lo Low (pH 4.5-6) 2.26 3.32 -34.81 3 3 1 40 241.399 4

Activity (Go SEA)

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