UCSF

ZINC32606744

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 26 No

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) 1.53 7.61 -17.94 1 7 0 92 368.418 3
Mid Mid (pH 6-8) 1.60 6.74 -52.2 0 7 -1 99 367.41 3

Activity (Go SEA)

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