UCSF

ZINC53206328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 19 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) 0.29 0.41 -95.7 4 4 2 39 268.449 3
Hi High (pH 8-9.5) 0.29 -0.15 -42.46 3 4 1 37 267.441 3
Mid Mid (pH 6-8) 0.29 4.33 -77.14 4 4 2 38 268.449 3
Mid Mid (pH 6-8) 0.29 3.6 -181.15 5 4 3 40 269.457 3

Activity (Go SEA)

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