UCSF

ZINC37083030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.40 7.54 -135.97 4 2 2 32 302.384 5
Hi High (pH 8-9.5) 3.40 7.24 -33.97 3 2 1 30 301.376 5
Hi High (pH 8-9.5) 3.40 5.56 -50.3 3 2 1 31 301.376 5

Activity (Go SEA)

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