UCSF

ZINC36723026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 21 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) 1.58 5.48 -33.41 3 5 0 86 287.315 6
Hi High (pH 8-9.5) 1.58 4.8 -46.19 2 5 -1 82 286.307 6

Activity (Go SEA)

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