UCSF

ZINC00708310

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 3.48 5.65 -26.88 2 9 0 121 464.503 7
Hi High (pH 8-9.5) 3.94 3.71 -78.24 1 9 -1 124 463.495 7
Hi High (pH 8-9.5) 3.94 3.91 -60.2 1 9 -1 124 463.495 7

Activity (Go SEA)

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