UCSF

ZINC52274961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 1.01 6.65 -100.49 3 3 2 36 181.283 4
Hi High (pH 8-9.5) 1.01 4.88 -6.95 1 3 0 30 179.267 4
Mid Mid (pH 6-8) 1.01 6.15 -37.09 2 3 1 34 180.275 4

Activity (Go SEA)

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