UCSF

ZINC44123670

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 3.32 7.16 -3.35 1 2 0 23 281.399 3
Mid Mid (pH 6-8) 3.32 9.2 -36.21 2 2 1 25 282.407 3

Activity (Go SEA)

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