UCSF

ZINC36906827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 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) 3.19 5.12 -46.16 3 2 1 31 261.842 7
Hi High (pH 8-9.5) 3.19 4.78 -1 2 2 0 29 260.834 7
Lo Low (pH 4.5-6) 3.19 6.58 -128.85 4 2 2 32 262.85 7

Activity (Go SEA)

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