UCSF

ZINC03446334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 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) 4.26 -3.3 -12.91 2 5 0 75 412.486 6
Hi High (pH 8-9.5) 4.26 -2.83 -43.1 1 5 -1 77 411.478 6

Activity (Go SEA)

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