UCSF

ZINC36285679

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) -2.14 -0.09 -16.56 2 7 0 81 251.29 3
Mid Mid (pH 6-8) -2.14 1.2 -57.68 3 7 1 86 252.298 3

Activity (Go SEA)

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