UCSF

ZINC32804040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 23 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) 3.04 7.2 -11.18 1 4 0 45 343.374 6
Mid Mid (pH 6-8) 3.60 7.97 -32.48 2 4 1 50 344.382 5
Mid Mid (pH 6-8) 2.85 7.56 -34.23 1 4 0 53 343.374 6

Activity (Go SEA)

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