UCSF

ZINC13496188

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 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) 2.16 0.12 -24.07 3 10 0 143 475.552 8
Hi High (pH 8-9.5) 2.16 0.19 -47.85 2 10 -1 145 474.544 8

Activity (Go SEA)

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