UCSF

ZINC02766419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 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) 8.34 17.29 -12.05 0 4 0 56 457.614 5
Mid Mid (pH 6-8) 8.34 17.68 -36.95 1 4 1 58 458.622 5

Activity (Go SEA)

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