UCSF

ZINC16701151

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 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) 4.12 11.9 -53.83 1 8 0 93 510.631 13
Hi High (pH 8-9.5) 4.12 9.7 -44.96 0 8 -1 91 509.623 13
Mid Mid (pH 6-8) 4.56 11.7 -44.79 2 8 1 90 511.639 12
Mid Mid (pH 6-8) 3.54 11.7 -49.74 1 8 1 87 511.639 13

Activity (Go SEA)

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