UCSF

ZINC13011913

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 34 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) 2.95 8.59 -49.68 3 8 -1 119 495.606 6
Mid Mid (pH 6-8) 3.15 9.18 -19.73 4 8 0 112 496.614 6

Activity (Go SEA)

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