UCSF

ZINC12556644

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 33 Yes

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) 3.51 8.88 -23.59 1 8 0 97 495.577 6
Mid Mid (pH 6-8) 3.51 9.18 -48.31 2 8 1 98 496.585 6

Activity (Go SEA)

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