UCSF

ZINC59287641

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 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) 3.81 7.29 -42 3 2 1 29 267.396 2
Hi High (pH 8-9.5) 3.81 6.27 -2.95 2 2 0 24 266.388 2

Activity (Go SEA)

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