UCSF

ZINC37874300

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 2.19 6.29 -114.76 4 3 2 41 302.409 8
Mid Mid (pH 6-8) 2.19 4.9 -32.89 3 3 1 37 301.401 8

Activity (Go SEA)

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