UCSF

ZINC02591066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 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) 4.17 8.35 -15.69 1 4 0 51 336.775 4
Hi High (pH 8-9.5) 4.36 7.28 -36.84 0 4 -1 58 335.767 4

Activity (Go SEA)

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