UCSF

ZINC42337549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 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) 3.29 8.66 -34.12 1 2 1 8 310.259 4
Hi High (pH 8-9.5) 3.29 6.38 -2.24 0 2 0 6 309.251 4
Mid Mid (pH 6-8) 3.29 8.65 -37.6 1 2 1 8 310.259 4

Activity (Go SEA)

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