UCSF

ZINC36981014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.04 7.37 -33.05 2 4 1 56 254.35 7
Mid Mid (pH 6-8) 3.04 6.51 -6 1 4 0 51 253.342 7

Activity (Go SEA)

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