UCSF

ZINC33758338

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 2.29 7.83 -64.62 0 9 -1 105 495.552 11
Mid Mid (pH 6-8) 2.29 10.17 -79.18 1 9 0 106 496.56 11
Lo Low (pH 4.5-6) 2.29 9.21 -53.33 2 9 1 103 497.568 11

Activity (Go SEA)

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