UCSF

ZINC20434320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 0.24 0.41 -43.76 4 4 1 66 239.27 3
Hi High (pH 8-9.5) 0.24 -0.97 -9.35 3 4 0 61 238.262 3

Activity (Go SEA)

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