UCSF

ZINC58311874

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 1.90 5.68 -14.52 1 3 0 42 244.269 4
Mid Mid (pH 6-8) 1.97 4.36 -35.21 2 3 1 47 245.277 4
Lo Low (pH 4.5-6) 1.90 6.03 -42.38 2 3 1 43 245.277 4

Activity (Go SEA)

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