UCSF

ZINC12032557

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 26 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) 5.01 8.17 -18.02 1 7 0 100 369.402 5
Mid Mid (pH 6-8) 4.52 8.54 -49.06 0 7 -1 99 368.394 6

Activity (Go SEA)

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