UCSF

ZINC36360712

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 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) 3.00 7.15 -10.68 1 5 0 60 355.344 3
Ref Reference (pH 7) 2.82 9.82 -10.78 1 5 0 56 355.344 3
Mid Mid (pH 6-8) 2.82 10.27 -48.35 2 5 1 57 356.352 3

Activity (Go SEA)

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