UCSF

ZINC13861537

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 22 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) -4.75 5.14 -272.15 2 11 -4 202 316.222 10
Lo Low (pH 4.5-6) -4.75 3.16 -192.73 3 11 -3 199 317.23 10

Activity (Go SEA)

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