UCSF

ZINC37096911

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.25 4.72 -43.19 3 2 1 31 239.408 6
Hi High (pH 8-9.5) 2.25 4.52 -2.43 2 2 0 29 238.4 6
Lo Low (pH 4.5-6) 2.25 6.51 -120.09 4 2 2 32 240.416 6

Activity (Go SEA)

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