UCSF

ZINC12541770

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 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) 3.48 5.82 -24.64 2 9 0 116 494.525 7
Hi High (pH 8-9.5) 3.48 5.89 -59.01 1 9 -1 118 493.517 7

Activity (Go SEA)

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