UCSF

ZINC36988007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 1.65 3.16 -19.09 3 5 0 81 322.411 6
Mid Mid (pH 6-8) 1.65 3.28 -57.7 2 5 -1 83 321.403 6

Activity (Go SEA)

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