UCSF

ZINC33961530

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 13 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) 2.03 5 -5.8 1 2 0 36 174.247 4
Mid Mid (pH 6-8) 2.03 6.37 -52.36 2 2 1 40 175.255 4

Activity (Go SEA)

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