UCSF

ZINC32561086

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 18 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) 1.40 7.36 -27.1 3 5 1 66 251.354 5
Hi High (pH 8-9.5) 1.40 7.44 -27.28 3 5 1 66 251.354 5
Mid Mid (pH 6-8) 1.40 6.99 -8.02 2 5 0 64 250.346 5

Activity (Go SEA)

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