UCSF

ZINC00075086

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 18 Yes

CAS Number: 63735-71-7

Other Names:

MFCD02064987

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) 1.35 1 -13.69 2 6 0 90 280.334 2
Hi High (pH 8-9.5) 1.35 1.48 -36.6 1 6 -1 88 279.326 2

Activity (Go SEA)

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