UCSF

ZINC32610506

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 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) 3.62 6.81 -49.13 0 5 -1 74 307.395 4
Lo Low (pH 4.5-6) 3.62 6.76 -14.88 1 5 0 72 308.403 4

Activity (Go SEA)

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