UCSF

ZINC36988169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.18 5.38 -33.2 3 3 1 34 246.378 3
Hi High (pH 8-9.5) 1.18 6.8 -32.96 3 3 1 34 246.378 3
Lo Low (pH 4.5-6) 1.18 7.62 -108.18 4 3 2 35 247.386 3

Activity (Go SEA)

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