UCSF

ZINC69737641

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 22 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) 1.45 5.31 -49.4 3 6 1 72 306.386 6
Hi High (pH 8-9.5) 1.45 2.8 -18 2 6 0 71 305.378 6

Activity (Go SEA)

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