UCSF

ZINC45704418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.81 4.94 -38.67 3 3 1 40 330.29 8
Mid Mid (pH 6-8) 2.81 5.74 -34.8 3 3 1 37 330.29 8
Lo Low (pH 4.5-6) 2.81 6.97 -117.1 4 3 2 41 331.298 8

Activity (Go SEA)

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