UCSF

ZINC32809511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 30 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) 3.51 9.51 -18.84 0 4 0 41 459.036 5
Mid Mid (pH 6-8) 3.51 11.84 -57.76 1 4 1 42 460.044 5

Activity (Go SEA)

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