UCSF

ZINC13209422

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 14 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) 1.50 -0.7 -9.81 2 4 0 63 191.186 1
Lo Low (pH 4.5-6) 1.50 -0.35 -34.52 3 4 1 64 192.194 1

Activity (Go SEA)

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