UCSF

ZINC36877200

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.40 7.3 -110.41 4 3 2 47 231.343 4
Hi High (pH 8-9.5) 2.40 5.13 -6.65 2 3 0 41 229.327 4
Mid Mid (pH 6-8) 2.40 6.56 -41.26 3 3 1 45 230.335 4

Activity (Go SEA)

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