UCSF

ZINC33773441

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 38 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) 4.27 9.98 -55.36 0 8 -1 91 519.618 12
Mid Mid (pH 6-8) 4.27 12.32 -70.46 1 8 0 93 520.626 12
Lo Low (pH 4.5-6) 4.27 11.02 -59.24 2 8 1 90 521.634 12

Activity (Go SEA)

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