UCSF

ZINC20047931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 1.27 5.9 -98.55 3 3 2 30 216.369 7
Mid Mid (pH 6-8) 1.27 4.41 -31.69 2 3 1 26 215.361 7
Mid Mid (pH 6-8) 1.27 3.7 -36.68 2 3 1 29 215.361 7

Activity (Go SEA)

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