UCSF

ZINC36777264

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) 2.13 8.25 -131.85 4 3 2 45 285.435 7
Hi High (pH 8-9.5) 2.13 7.76 -30.6 3 3 1 43 284.427 7
Mid Mid (pH 6-8) 2.13 6.32 -107.65 4 3 2 45 285.435 7
Mid Mid (pH 6-8) 2.13 6.28 -52.82 3 3 1 44 284.427 7

Activity (Go SEA)

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