UCSF

ZINC50824791

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2010 27 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) 4.14 9.14 -49.18 1 5 -1 70 380.493 3
Mid Mid (pH 6-8) 3.68 10.43 -14.98 2 5 0 67 381.501 3

Activity (Go SEA)

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