UCSF

ZINC28899683

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 26 Yes

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) 3.60 8.22 -56.11 2 7 -1 111 383.434 5
Lo Low (pH 4.5-6) 3.60 8.61 -75.92 3 7 0 112 384.442 5

Activity (Go SEA)

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