UCSF

ZINC32018892

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.33 2.35 -69.31 2 6 -1 88 350.445 7
Hi High (pH 8-9.5) 1.33 1.96 -112.86 1 6 -2 90 349.437 7
Mid Mid (pH 6-8) 0.60 2.81 -49.53 3 6 0 91 351.453 7

Activity (Go SEA)

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