UCSF

ZINC37078440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 1.81 2.64 -45.35 3 2 1 31 219.761 4
Hi High (pH 8-9.5) 1.81 2.31 -1.53 2 2 0 29 218.753 4

Activity (Go SEA)

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