UCSF

ZINC00000499

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

CAS Number: 80294-25-3

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) 1.88 -0.65 -9.83 1 6 0 72 274.324 2

Activity (Go SEA)

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