UCSF

ZINC12747041

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 27 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) 3.26 9.68 -45.55 2 6 1 59 369.489 5
Mid Mid (pH 6-8) 3.26 7.21 -13.59 1 6 0 58 368.481 5

Activity (Go SEA)

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