UCSF

ZINC34559602

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 2.02 9.08 -14.13 1 5 0 62 364.424 3
Mid Mid (pH 6-8) 2.02 9.51 -48.84 2 5 1 63 365.432 3

Activity (Go SEA)

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