UCSF

ZINC36457740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 19 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) 2.93 7.31 -42.56 2 4 1 52 266.361 7
Mid Mid (pH 6-8) 2.93 6.03 -6.29 1 4 0 48 265.353 7

Activity (Go SEA)

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