UCSF

ZINC49633672

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 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) 1.01 3.51 -35.29 2 4 1 51 190.263 8
Mid Mid (pH 6-8) 1.01 1.25 -7.79 1 4 0 50 189.255 8

Activity (Go SEA)

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