UCSF

ZINC37050379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) -1.28 0.3 -95.95 6 6 2 95 258.366 7
Hi High (pH 8-9.5) -1.52 -1.08 -85.5 5 6 1 99 257.358 7

Activity (Go SEA)

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