UCSF

ZINC32521666

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 2.63 5.01 -12.34 2 6 0 71 387.524 8
Mid Mid (pH 6-8) 2.63 6.96 -46.7 3 6 1 72 388.532 8

Activity (Go SEA)

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