UCSF

ZINC32740482

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 23 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) 2.68 10.32 -10.77 0 5 0 66 307.353 5
Lo Low (pH 4.5-6) 2.68 10.59 -42.71 1 5 1 67 308.361 5

Activity (Go SEA)

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