UCSF

ZINC11565933

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2008 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) 4.81 -2.61 -13.21 1 5 0 68 370.474 7
Hi High (pH 8-9.5) 4.81 -2.15 -47.58 0 5 -1 70 369.466 7
Lo Low (pH 4.5-6) 4.81 -2.18 -34.89 2 5 1 70 371.482 7

Activity (Go SEA)

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