UCSF

ZINC33808658

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 3.74 9.82 -52.42 0 8 -1 95 506.623 13
Mid Mid (pH 6-8) 3.74 12.15 -70.17 1 8 0 96 507.631 13
Lo Low (pH 4.5-6) 3.74 10.86 -57.13 2 8 1 93 508.639 13

Activity (Go SEA)

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