UCSF

ZINC32514633

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 18 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) 1.47 8.6 -22.74 0 4 0 65 238.294 4
Lo Low (pH 4.5-6) 1.47 9.01 -50.97 1 4 1 67 239.302 4

Activity (Go SEA)

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