UCSF

ZINC20522638

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 25 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) 2.80 8.13 -40.81 2 4 1 37 342.438 6
Mid Mid (pH 6-8) 2.80 8.2 -43.03 2 4 1 37 342.438 6
Mid Mid (pH 6-8) 2.80 5.94 -8.12 1 4 0 36 341.43 6

Activity (Go SEA)

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