UCSF

ZINC19431848

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 2.30 7.1 -58.45 1 5 -1 86 308.111 2
Hi High (pH 8-9.5) 2.76 4.99 -124.76 0 5 -2 89 307.103 2

Activity (Go SEA)

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