UCSF

ZINC37232451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 4.13 6.27 -4.69 1 2 0 21 301.864 7
Mid Mid (pH 6-8) 4.13 7.49 -39.78 2 2 1 26 302.872 7

Activity (Go SEA)

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