UCSF

ZINC36838777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 0.43 5 -33.38 2 6 0 96 255.318 9
Hi High (pH 8-9.5) 0.43 4.03 -42.81 1 6 -1 91 254.31 9

Activity (Go SEA)

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