UCSF

ZINC37080792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 0.24 2.45 -105.73 4 3 2 35 211.353 3
Hi High (pH 8-9.5) 0.24 2.1 -32.41 3 3 1 34 210.345 3
Hi High (pH 8-9.5) 0.24 0.04 -41.56 3 3 1 34 210.345 3
Mid Mid (pH 6-8) 0.24 1.85 -116.26 4 3 2 35 211.353 3
Lo Low (pH 4.5-6) 0.24 4.29 -209.1 5 3 3 37 212.361 3

Activity (Go SEA)

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