UCSF

ZINC04270394

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 29 Yes

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) 3.53 -2.43 -14.78 1 6 0 81 409.442 4
Hi High (pH 8-9.5) 3.53 -1.85 -43.23 0 6 -1 83 408.434 4

Activity (Go SEA)

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