UCSF

ZINC34610979

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 1.99 10.09 -43.14 2 5 1 55 323.42 3
Mid Mid (pH 6-8) 1.99 9.71 -25.6 1 5 0 54 322.412 3

Activity (Go SEA)

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