UCSF

ZINC39849364

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 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) 3.04 11.93 -74.74 1 7 0 87 438.524 11
Lo Low (pH 4.5-6) 3.04 11.03 -46.98 2 7 1 84 439.532 11

Activity (Go SEA)

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