UCSF

ZINC21817041

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.30 10.2 -40.93 2 2 1 26 304.841 6
Mid Mid (pH 6-8) 4.30 9.42 -5.13 1 2 0 21 303.833 6

Activity (Go SEA)

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