UCSF

ZINC53429304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 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) 1.79 4.41 -34.26 2 4 1 43 257.379 7
Mid Mid (pH 6-8) 1.79 2.19 -8.49 1 4 0 42 256.371 7

Activity (Go SEA)

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