UCSF

ZINC32916295

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 33 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) 3.29 7.69 -13.8 3 7 0 92 463.969 6
Lo Low (pH 4.5-6) 3.29 7.99 -43.45 4 7 1 93 464.977 6

Activity (Go SEA)

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