UCSF

ZINC37038755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.03 7.06 -112.57 4 5 2 65 292.427 4
Hi High (pH 8-9.5) -0.03 6.71 -39.49 3 5 1 64 291.419 4
Mid Mid (pH 6-8) -0.03 5.72 -50.16 3 5 1 64 291.419 4

Activity (Go SEA)

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