UCSF

ZINC36999803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 5.22 9.65 -2.85 1 1 0 12 383.127 5
Lo Low (pH 4.5-6) 5.22 10.84 -43.43 2 1 1 17 384.135 5

Activity (Go SEA)

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