UCSF

ZINC27549830

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 21 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) 3.23 6.42 -5.01 0 3 0 22 307.459 4
Mid Mid (pH 6-8) 3.23 8.62 -35.71 1 3 1 23 308.467 4

Activity (Go SEA)

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