UCSF

ZINC17857017

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 31 No

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) 1.39 7.28 -63.48 0 7 -1 86 418.473 7
Mid Mid (pH 6-8) 0.81 9.83 -70.18 1 7 1 81 420.489 7
Mid Mid (pH 6-8) 1.39 9.13 -55.09 2 7 1 84 420.489 7
Mid Mid (pH 6-8) 1.39 9.61 -80.41 1 7 0 87 419.481 7
Lo Low (pH 4.5-6) 0.81 10.12 -136.92 2 7 2 82 421.497 7
Lo Low (pH 4.5-6) 1.39 9.42 -117.54 3 7 2 85 421.497 7

Activity (Go SEA)

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