UCSF

ZINC01582760

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 18 Yes

CAS Number: 13758-23-1

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) 1.58 -4.77 -49.92 4 4 1 69 247.318 4

Activity (Go SEA)

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