UCSF

ZINC36874284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.63 7.64 -48.14 4 3 1 56 278.379 5
Mid Mid (pH 6-8) 2.63 8.1 -100.12 5 3 2 58 279.387 5

Activity (Go SEA)

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