UCSF

ZINC02999855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 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) 5.78 10.61 -18.15 1 4 0 55 430.769 5
Mid Mid (pH 6-8) 5.84 9.72 -42.28 0 4 -1 61 429.761 5

Activity (Go SEA)

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