UCSF

ZINC42745593

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.08 3.8 -53.66 3 3 1 40 289.321 7
Hi High (pH 8-9.5) 2.08 3.68 -3.13 2 3 0 38 288.313 7
Lo Low (pH 4.5-6) 2.08 6.22 -119.78 4 3 2 41 290.329 7

Activity (Go SEA)

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