UCSF

ZINC49932538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 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) 2.71 8.12 -42.11 1 3 1 37 233.335 5
Mid Mid (pH 6-8) 2.71 6.18 -5.68 0 3 0 36 232.327 5

Activity (Go SEA)

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