UCSF

ZINC33812811

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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) 2.04 6.18 -57.8 0 8 -1 95 482.582 9
Mid Mid (pH 6-8) 2.04 8.77 -70.18 1 8 0 96 483.59 9
Lo Low (pH 4.5-6) 2.04 7.95 -53.16 2 8 1 93 484.598 9

Activity (Go SEA)

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