UCSF

ZINC02019938

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 19 Yes

CAS Number: 27661-27-4

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) -0.19 -10.35 -56.3 4 7 -1 122 268.245 3

Activity (Go SEA)

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