UCSF

ZINC36680303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 12 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) 0.45 4.11 -37.74 2 3 1 40 170.28 6
Hi High (pH 8-9.5) 0.45 1.61 -7.31 1 3 0 39 169.272 6
Mid Mid (pH 6-8) 0.45 2.67 -43.47 2 3 1 44 170.28 6
Lo Low (pH 4.5-6) 0.45 5.14 -114.29 3 3 2 45 171.288 6

Activity (Go SEA)

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