UCSF

ZINC03963476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 35 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) 3.55 5.44 -12.96 2 8 0 111 490.434 5
Lo Low (pH 4.5-6) 3.55 5.69 -47.7 3 8 1 112 491.442 5

Activity (Go SEA)

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