UCSF

ZINC19817481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 34 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) 1.93 8.96 -21.81 1 10 0 98 463.494 6
Mid Mid (pH 6-8) 1.93 11.3 -50.13 2 10 1 99 464.502 6

Activity (Go SEA)

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