UCSF

ZINC34615866

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 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) 0.49 3.11 -105.32 4 2 2 32 144.262 1
Hi High (pH 8-9.5) 0.49 1.26 -39.69 3 2 1 31 143.254 1
Mid Mid (pH 6-8) 0.49 2.81 -30.51 3 2 1 30 143.254 1

Activity (Go SEA)

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