UCSF

ZINC36775717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.69 5.21 -49.4 3 3 1 44 282.411 4
Mid Mid (pH 6-8) 1.69 7.1 -126.88 4 3 2 45 283.419 4

Activity (Go SEA)

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