UCSF

ZINC54110497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 17 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) 1.23 6.12 -124.71 3 5 2 60 242.319 8
Hi High (pH 8-9.5) 1.23 2.44 -5.68 1 5 0 55 240.303 8
Mid Mid (pH 6-8) 1.23 4.76 -39.93 2 5 1 56 241.311 8
Mid Mid (pH 6-8) 1.23 3.82 -48.32 2 5 1 59 241.311 8

Activity (Go SEA)

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