UCSF

ZINC32927700

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 23 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) 2.37 7.3 -47.88 1 7 1 88 340.425 3
Mid Mid (pH 6-8) 2.37 5.04 -10.82 0 7 0 86 339.417 3

Activity (Go SEA)

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