UCSF

ZINC26532827

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 33 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) 2.56 5.15 -63.88 1 7 -1 93 453.49 7
Mid Mid (pH 6-8) 2.56 7.48 -77.57 2 7 0 94 454.498 7
Lo Low (pH 4.5-6) 2.56 6.66 -55.7 3 7 1 92 455.506 7

Activity (Go SEA)

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