UCSF

ZINC26892333

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 26 No

CAS Number: 19408-46-9

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) -4.10 -10.88 -76.16 11 12 1 227 380.374 4
Hi High (pH 8-9.5) -4.10 -10.24 -25.26 10 12 0 226 379.366 4
Hi High (pH 8-9.5) -4.10 -11.21 -34.53 10 12 0 226 379.366 4

Activity (Go SEA)

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