UCSF

ZINC62967810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 3.43 8.2 -37.36 1 2 1 8 312.275 5
Hi High (pH 8-9.5) 3.43 5.85 -2.07 0 2 0 6 311.267 5
Mid Mid (pH 6-8) 3.43 7.85 -34.67 1 2 1 8 312.275 5
Lo Low (pH 4.5-6) 3.43 10.24 -110.47 2 2 2 9 313.283 5

Activity (Go SEA)

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