UCSF

ZINC44243657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) -0.46 -1.78 -13.1 2 7 0 91 363.237 4
Hi High (pH 8-9.5) -0.46 -2.18 -42.61 1 7 -1 93 362.229 4
Mid Mid (pH 6-8) -0.46 -0.49 -56.65 3 7 1 96 364.245 4

Activity (Go SEA)

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