UCSF

ZINC22164781

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 2.49 4.97 -46.59 3 3 1 44 251.394 5
Mid Mid (pH 6-8) 2.49 7.01 -121.1 4 3 2 45 252.402 5
Mid Mid (pH 6-8) 2.49 7 -26.13 3 3 1 44 251.394 5

Activity (Go SEA)

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