UCSF

ZINC36190693

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 0.33 -0.01 -10.52 3 7 0 92 299.4 4
Mid Mid (pH 6-8) 0.33 2.36 -43.14 4 7 1 93 300.408 4

Activity (Go SEA)

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