UCSF

ZINC02653666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 22 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) 4.11 4.89 -9.64 1 5 0 65 319.382 4
Hi High (pH 8-9.5) 4.11 5.02 -43.31 0 5 -1 67 318.374 4

Activity (Go SEA)

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