UCSF

ZINC45664239

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.61 3.83 -91.17 5 5 2 64 294.443 9
Mid Mid (pH 6-8) 1.61 4.27 -86.64 5 5 2 64 294.443 9
Lo Low (pH 4.5-6) 1.61 6.3 -168.63 6 5 3 66 295.451 9

Activity (Go SEA)

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