UCSF

ZINC36777378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -0.42 3.63 -51.24 3 5 1 62 286.355 5
Hi High (pH 8-9.5) -0.42 2.85 -8.41 2 5 0 61 285.347 5
Mid Mid (pH 6-8) -0.42 3.69 -106.68 4 5 2 63 287.363 5

Activity (Go SEA)

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