UCSF

ZINC20190400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 2.21 5.03 -58.14 1 7 -1 93 439.463 7
Mid Mid (pH 6-8) 2.21 7.36 -76.74 2 7 0 94 440.471 7

Activity (Go SEA)

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