UCSF

ZINC09041927

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) 4.30 12.58 -75.39 1 8 0 93 510.631 13
Hi High (pH 8-9.5) 4.30 10.04 -58.43 0 8 -1 91 509.623 13
Mid Mid (pH 6-8) 4.75 12.47 -48.52 2 8 1 90 511.639 12

Activity (Go SEA)

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