UCSF

ZINC42921771

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 29 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) 5.81 4.61 -11.62 4 6 0 111 396.439 4
Hi High (pH 8-9.5) 5.81 5.6 -59.11 3 6 -1 114 395.431 4

Activity (Go SEA)

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