UCSF

ZINC37201986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 3.78 7.44 -38.4 2 3 1 33 275.416 7
Hi High (pH 8-9.5) 3.78 6.18 -4.92 1 3 0 28 274.408 7
Mid Mid (pH 6-8) 3.78 9.52 -114.31 3 3 2 34 276.424 7
Mid Mid (pH 6-8) 3.78 8.32 -36.01 2 3 1 30 275.416 7

Activity (Go SEA)

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