UCSF

ZINC37859352

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 20 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) -0.11 1.04 -15.1 1 7 0 91 319.408 4
Mid Mid (pH 6-8) 0.35 -1.12 -53.6 0 7 -1 94 318.4 4

Activity (Go SEA)

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