UCSF

ZINC09350961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 39 No

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) 4.13 13.04 -77.62 1 8 0 93 530.621 11
Hi High (pH 8-9.5) 4.13 10.5 -60.03 0 8 -1 91 529.613 11
Mid Mid (pH 6-8) 3.55 1.7 -52.03 1 8 1 86 531.629 11

Activity (Go SEA)

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