UCSF

ZINC37024736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -2.03 -2.84 -56.83 6 7 1 118 226.26 5
Hi High (pH 8-9.5) -2.03 -3.14 -21.72 5 7 0 116 225.252 5

Activity (Go SEA)

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