UCSF

ZINC23358419

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 1.98 5.06 -79.26 4 6 2 63 381.561 11
Mid Mid (pH 6-8) 1.98 2.78 -40.75 3 6 1 62 380.553 11

Activity (Go SEA)

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