UCSF

ZINC37050400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.16 2.77 -91.95 6 5 2 84 279.384 7
Hi High (pH 8-9.5) 0.92 1.27 -79.27 5 5 1 88 278.376 7

Activity (Go SEA)

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