UCSF

ZINC69772873

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 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) 1.84 4.48 -33.5 2 5 1 46 323.457 8
Mid Mid (pH 6-8) 1.84 4.43 -34.63 2 5 1 46 323.457 8
Mid Mid (pH 6-8) 1.84 2.15 -6.63 1 5 0 45 322.449 8

Activity (Go SEA)

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