UCSF

ZINC44515245

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.70 6.53 -95.23 3 3 2 24 253.434 3
Mid Mid (pH 6-8) 1.70 8.84 -75.11 3 3 2 21 253.434 3
Lo Low (pH 4.5-6) 1.70 8.89 -171.06 4 3 3 25 254.442 3

Activity (Go SEA)

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