UCSF

ZINC11995407

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 36 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) 2.23 0.05 -19.36 1 10 0 112 495.532 7

Activity (Go SEA)

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