UCSF

ZINC36471726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 28 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) 4.51 13.25 -36.71 1 3 1 13 378.515 4
Mid Mid (pH 6-8) 4.51 13.14 -37.48 1 3 1 13 378.515 4
Mid Mid (pH 6-8) 4.51 10.88 -5.03 0 3 0 11 377.507 4

Activity (Go SEA)

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