UCSF

ZINC11914088

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 34 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) 3.84 6.36 -13.97 3 8 0 108 465.55 9
Hi High (pH 8-9.5) 3.84 7.19 -48.35 2 8 -1 111 464.542 9

Activity (Go SEA)

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