UCSF

ZINC02560345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

CAS Number: 499-86-5

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) -2.57 -2.48 -59.82 2 6 -1 98 229.256 7

Activity (Go SEA)

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