UCSF

ZINC23282830

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 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) 2.58 6.71 -38.55 1 3 1 17 251.394 8
Mid Mid (pH 6-8) 2.58 6.61 -35.87 1 3 1 17 251.394 8
Lo Low (pH 4.5-6) 2.58 9.01 -113.97 2 3 2 18 252.402 8

Activity (Go SEA)

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