UCSF

ZINC03873957

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 19 Yes

CAS Number: 69-33-0

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) -0.93 -11.02 -14.92 5 8 0 126 266.257 2
Lo Low (pH 4.5-6) -3.60 -10.88 -31.29 6 8 1 128 267.265 2

Activity (Go SEA)

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