UCSF

ZINC58292506

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 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) 1.23 8.3 -49.22 2 6 1 66 312.397 6
Mid Mid (pH 6-8) 1.23 7.86 -23.78 1 6 0 65 311.389 6
Lo Low (pH 4.5-6) 1.23 8.7 -78.19 3 6 2 67 313.405 6

Activity (Go SEA)

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