UCSF

ZINC37856145

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.11 4.78 -114.32 4 6 2 71 303.447 9
Hi High (pH 8-9.5) 1.11 3.57 -39.33 3 6 1 66 302.439 9
Mid Mid (pH 6-8) 1.11 5.2 -46.43 3 6 1 74 302.439 9

Activity (Go SEA)

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