UCSF

ZINC58163051

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 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) 1.93 5.68 -21.63 1 7 0 89 385.445 6
Mid Mid (pH 6-8) 1.93 5.7 -56.69 0 7 -1 91 384.437 6

Activity (Go SEA)

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