UCSF

ZINC36779265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.89 0.92 -36.97 4 5 1 76 256.322 6
Hi High (pH 8-9.5) 0.89 0.62 -5.85 3 5 0 74 255.314 6

Activity (Go SEA)

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