UCSF

ZINC36779108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.07 1.18 -43.4 4 4 1 66 262.276 6
Hi High (pH 8-9.5) 1.07 0.88 -8.69 3 4 0 65 261.268 6

Activity (Go SEA)

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