UCSF

ZINC04262019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 26 Yes

CAS Number: 505-56-6

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) 8.36 17.6 -91.19 0 4 -2 80 368.558 21
Lo Low (pH 4.5-6) 8.36 15.62 -48.15 1 4 -1 77 369.566 21

Activity (Go SEA)

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