UCSF

ZINC39113774

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 1.55 3.61 -30.7 1 2 1 8 171.308 0
Hi High (pH 8-9.5) 1.55 1.87 -1.17 0 2 0 6 170.3 0
Lo Low (pH 4.5-6) 1.55 5.86 -95.13 2 2 2 9 172.316 0

Activity (Go SEA)

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