UCSF

ZINC44677421

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 3.10 7.98 -37.79 2 2 1 20 259.417 5
Hi High (pH 8-9.5) 3.10 9 -34.08 2 2 1 16 259.417 5
Lo Low (pH 4.5-6) 3.10 10.19 -105.93 3 2 2 21 260.425 5

Activity (Go SEA)

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