UCSF

ZINC39317005

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 2.81 10.13 -59.57 2 6 1 76 396.442 5
Hi High (pH 8-9.5) 3.27 7.61 -69.89 1 6 0 79 395.434 5
Hi High (pH 8-9.5) 2.81 7.89 -13.21 1 6 0 75 395.434 5

Activity (Go SEA)

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