UCSF

ZINC36804760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 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) 2.23 4.2 -43.96 2 4 1 38 251.35 5
Mid Mid (pH 6-8) 2.23 5.16 -37.25 2 4 1 35 251.35 5
Lo Low (pH 4.5-6) 2.23 6.32 -121.22 3 4 2 40 252.358 5

Activity (Go SEA)

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