UCSF

ZINC34987467

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 4.55 13.03 -50.09 1 3 1 22 350.461 3
Mid Mid (pH 6-8) 4.55 11.24 -29.52 1 3 1 22 350.461 3
Mid Mid (pH 6-8) 4.55 10.82 -11.44 0 3 0 21 349.453 3

Activity (Go SEA)

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