UCSF

ZINC32501670

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 33 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) 4.35 9.1 -23.99 1 7 0 90 453.527 6
Mid Mid (pH 6-8) 4.42 8.2 -51.09 0 7 -1 96 452.519 6

Activity (Go SEA)

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