UCSF

ZINC44675652

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 21 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) 3.41 8.7 -3.32 1 2 0 21 344.252 3
Mid Mid (pH 6-8) 3.41 10.21 -39.35 2 2 1 26 345.26 3

Activity (Go SEA)

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