UCSF

ZINC70505993

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 18 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) 2.46 10.2 -37.61 1 4 0 58 246.31 6
Mid Mid (pH 6-8) 2.46 9.91 -48.59 0 4 -1 56 245.302 6

Activity (Go SEA)

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