UCSF

ZINC32097917

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 24 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) 2.99 6.21 -36.9 0 6 -1 79 347.395 4
Mid Mid (pH 6-8) 2.99 6.14 -14.88 1 6 0 77 348.403 4

Activity (Go SEA)

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