UCSF

ZINC00000796

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 Yes

CAS Number: [76145-76-1]

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) 5.57 1.16 -12.52 0 3 0 27 316.404 3

Activity (Go SEA)

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