UCSF

ZINC34113329

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 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) -4.43 -2.42 -62.53 6 8 0 146 242.235 6
Hi High (pH 8-9.5) -4.43 -2.75 -56.19 5 8 -1 144 241.227 6
Hi High (pH 8-9.5) -4.43 -2.21 -55.74 5 8 -1 144 241.227 6
Mid Mid (pH 6-8) -4.43 -2.17 -70.37 6 8 0 145 242.235 6
Mid Mid (pH 6-8) -4.43 -1.91 -94.28 7 8 1 147 243.243 6
Mid Mid (pH 6-8) -4.43 -1.88 -60.03 6 8 0 146 242.235 6

Activity (Go SEA)

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