UCSF

ZINC34593733

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 36 No

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) 1.68 4.36 -186.86 9 10 3 140 501.652 14
Hi High (pH 8-9.5) 1.68 1.68 -43.72 7 10 1 130 499.636 14
Hi High (pH 8-9.5) 1.68 3.78 -83.14 8 10 2 132 500.644 14
Mid Mid (pH 6-8) 1.68 1.52 -105.18 8 10 2 138 500.644 14
Lo Low (pH 4.5-6) 1.68 6.46 -275.32 10 10 4 141 502.66 14

Activity (Go SEA)

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