UCSF

ZINC36786822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 2.46 5.23 -37.83 3 2 1 31 241.424 5
Hi High (pH 8-9.5) 2.46 4.63 -2.1 2 2 0 29 240.416 5
Lo Low (pH 4.5-6) 2.46 5.87 -120.9 4 2 2 32 242.432 5

Activity (Go SEA)

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