UCSF

ZINC12767039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 29 Yes

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) 3.24 8.55 -43.29 2 7 1 72 393.467 6
Mid Mid (pH 6-8) 3.24 6.08 -11.02 1 7 0 71 392.459 6

Activity (Go SEA)

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