UCSF

ZINC00000862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 21 Yes

CAS Number: 127-60-6

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) 0.05 2.75 -45.86 3 6 -1 112 305.335 5
Lo Low (pH 4.5-6) 0.05 0.76 -14.51 4 6 0 109 306.343 5

Activity (Go SEA)

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