UCSF

ZINC37859260

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 21 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) -0.18 1.12 -19.41 1 7 0 91 333.435 3
Mid Mid (pH 6-8) 0.28 -1.2 -46.68 0 7 -1 94 332.427 3

Activity (Go SEA)

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