UCSF

ZINC36878829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 2.27 7.59 -43.33 2 2 1 40 215.32 4
Mid Mid (pH 6-8) 2.27 6.75 -7.64 1 2 0 36 214.312 4

Activity (Go SEA)

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