UCSF

ZINC03705464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 17 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) 2.10 7.42 -44.16 3 1 1 28 222.311 1
Hi High (pH 8-9.5) 2.10 7.51 -4.98 2 1 0 26 221.303 1

Activity (Go SEA)

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