UCSF

ZINC01783626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 30 No

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) 2.66 7.3 -22.81 2 8 0 109 421.482 3
Hi High (pH 8-9.5) 3.12 5.7 -48.34 1 8 -1 112 420.474 3
Hi High (pH 8-9.5) 3.12 5.43 -60.21 1 8 -1 112 420.474 3

Activity (Go SEA)

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