UCSF

ZINC32582048

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 21 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) 0.28 2.47 -21.28 3 7 0 98 290.323 5
Mid Mid (pH 6-8) 0.28 2.78 -39.03 4 7 1 99 291.331 5

Activity (Go SEA)

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