UCSF

ZINC44890629

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 1.80 8.04 -31.93 1 5 1 51 285.408 6
Mid Mid (pH 6-8) 1.80 6.13 -12.98 0 5 0 50 284.4 6

Activity (Go SEA)

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