UCSF

ZINC20265150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 36 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) 3.23 8.41 -57.17 0 8 -1 91 513.998 10
Mid Mid (pH 6-8) 3.23 10.74 -77.44 1 8 0 93 515.006 10

Activity (Go SEA)

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