UCSF

ZINC20125757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.90 5.89 -33.47 2 3 1 29 251.394 6
Mid Mid (pH 6-8) 2.90 6.9 -32.08 2 3 1 26 251.394 6
Lo Low (pH 4.5-6) 2.90 8.01 -112.42 3 3 2 30 252.402 6

Activity (Go SEA)

Rings

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