UCSF

ZINC53118107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.03 3.35 -34.48 4 3 1 57 264.389 5
Hi High (pH 8-9.5) 2.03 2.45 -3.95 3 3 0 52 263.381 5

Activity (Go SEA)

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