UCSF

ZINC37078443

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) 1.23 3.54 -37.05 3 2 1 31 199.343 4
Hi High (pH 8-9.5) 1.23 2.61 -2.73 2 2 0 29 198.335 4

Activity (Go SEA)

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