UCSF

ZINC33979233

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 24 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) -3.81 -3.12 -244.52 2 13 -3 206 385.138 6
Mid Mid (pH 6-8) -3.81 -4.27 -126.21 3 13 -2 203 386.146 6

Activity (Go SEA)

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