UCSF

ZINC19943817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 9 No

CAS Number: 868-59-7

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) -0.26 1.12 -4.16 2 3 0 52 149.215 4
Hi High (pH 8-9.5) -0.26 1.59 -37.03 2 3 -1 52 148.207 4

Activity (Go SEA)

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