UCSF

ZINC09041765

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 37 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) 4.97 14.32 -71.63 1 9 0 120 509.603 13
Hi High (pH 8-9.5) 4.97 11.99 -52.4 0 9 -1 119 508.595 13
Mid Mid (pH 6-8) 5.41 13 -48.14 2 9 1 117 510.611 12

Activity (Go SEA)

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