UCSF

ZINC69532711

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 18 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) 0.75 3.16 -41.37 2 5 1 64 268.362 7
Mid Mid (pH 6-8) 0.75 1.02 -7.65 1 5 0 62 267.354 7

Activity (Go SEA)

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