UCSF

ZINC02392269

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 19 Yes

CAS Numbers: 190447-69-9 , 250611-08-6

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) 3.04 2.8 -43.49 4 6 1 92 275.369 8
Hi High (pH 8-9.5) 3.04 2.4 -4.51 3 6 0 91 274.361 8

Activity (Go SEA)

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