UCSF

ZINC34025986

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 33 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) 3.05 9.76 -64.61 1 7 -1 116 459.559 6
Lo Low (pH 4.5-6) 3.05 7.78 -23.95 2 7 0 113 460.567 6

Activity (Go SEA)

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