UCSF

ZINC32933603

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 28 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) 3.50 6.82 -62.91 2 6 1 71 406.503 6
Mid Mid (pH 6-8) 3.50 7.71 -18.93 1 6 0 70 405.495 6

Activity (Go SEA)

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