UCSF

ZINC36747316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -0.90 -1.18 -48.07 5 5 1 89 200.262 4
Hi High (pH 8-9.5) -0.90 -1.44 -13.45 4 5 0 84 199.254 4

Activity (Go SEA)

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