UCSF

ZINC41045215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 15 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) 0.70 3.12 -51.01 4 4 1 65 207.301 2
Mid Mid (pH 6-8) 0.70 3.24 -94.95 5 4 2 67 208.309 2
Lo Low (pH 4.5-6) 0.70 3.3 -102.01 5 4 2 67 208.309 2

Activity (Go SEA)

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