UCSF

ZINC31933431

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 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) 1.74 7.47 -42.66 1 3 1 22 190.27 2
Mid Mid (pH 6-8) 1.74 4.93 -8.34 0 3 0 21 189.262 2
Lo Low (pH 4.5-6) 1.74 7.92 -91.82 2 3 2 23 191.278 2

Activity (Go SEA)

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