UCSF

ZINC44916795

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 27 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) 2.65 3.6 -14.3 2 7 0 89 365.389 4
Ref Reference (pH 7) 2.47 6.25 -13.06 2 7 0 86 365.389 4
Lo Low (pH 4.5-6) 2.47 6.72 -40.1 3 7 1 87 366.397 4

Activity (Go SEA)

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