UCSF

ZINC44860872

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) 2.13 6.62 -37.94 4 4 1 60 312.503 8
Hi High (pH 8-9.5) 1.98 5.93 -33.01 3 4 0 66 311.495 8

Activity (Go SEA)

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