UCSF

ZINC23359130

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 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) 3.42 11.12 -47.53 2 4 1 37 390.551 4
Mid Mid (pH 6-8) 3.42 10.71 -43.21 2 4 1 37 390.551 4
Mid Mid (pH 6-8) 3.42 8.87 -8.87 1 4 0 36 389.543 4

Activity (Go SEA)

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