UCSF

ZINC23247889

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 26 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) 4.30 8.46 -35.84 2 4 1 29 360.566 7
Mid Mid (pH 6-8) 4.30 9.19 -107.09 3 4 2 34 361.574 7
Mid Mid (pH 6-8) 4.30 7.68 -36.85 2 4 1 32 360.566 7

Activity (Go SEA)

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