UCSF

ZINC08674111

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 34 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) -5.17 -13.28 -297.21 17 14 4 258 500.59 6
Hi High (pH 8-9.5) -5.17 -15.35 -7.54 13 14 0 248 496.558 6
Hi High (pH 8-9.5) -5.17 -13.24 -48.51 14 14 1 250 497.566 6
Mid Mid (pH 6-8) -5.17 -12.57 -199.81 16 14 3 256 499.582 6
Mid Mid (pH 6-8) -5.17 -13.61 -189.45 16 14 3 256 499.582 6

Activity (Go SEA)

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