UCSF

ZINC32958461

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 24 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) 2.74 5.2 -17.52 1 6 0 89 359.432 5
Mid Mid (pH 6-8) 2.80 4.28 -46.18 0 6 -1 95 358.424 5

Activity (Go SEA)

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