UCSF

ZINC02389623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 9 Yes

CAS Number: 2812-28-4

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) -2.40 -2.86 -40.49 3 4 0 76 133.147 3

Activity (Go SEA)

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