UCSF

ZINC20524595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) 1.68 5.83 -79.12 3 4 2 34 273.465 8
Mid Mid (pH 6-8) 1.68 5.7 -96.93 3 4 2 34 273.465 8
Mid Mid (pH 6-8) 1.68 3.36 -32.14 2 4 1 32 272.457 8

Activity (Go SEA)

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