UCSF

ZINC36202647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 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) 4.15 9.34 -39.91 2 5 1 60 374.501 11
Mid Mid (pH 6-8) 4.15 7.62 -8.25 1 5 0 59 373.493 11

Activity (Go SEA)

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