UCSF

ZINC05770221

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 29 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) 2.90 10.45 -54.49 1 6 -1 87 402.455 3
Hi High (pH 8-9.5) 2.97 9.04 -146.68 0 6 -2 93 401.447 3

Activity (Go SEA)

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