UCSF

ZINC43401988

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.24 -1.59 -43.34 3 6 1 79 241.315 3
Hi High (pH 8-9.5) 0.24 -1.84 -7.07 2 6 0 77 240.307 3
Mid Mid (pH 6-8) 0.24 0.72 -100.14 4 6 2 80 242.323 3

Activity (Go SEA)

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