UCSF

ZINC02822495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 15 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) 3.80 6.87 -38.35 2 2 1 26 273.194 6
Hi High (pH 8-9.5) 3.80 5.64 -3.04 1 2 0 21 272.186 6

Activity (Go SEA)

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