UCSF

ZINC23381261

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 4.40 10.18 -11.18 0 6 0 58 436.441 4
Mid Mid (pH 6-8) 4.40 10.5 -34.51 1 6 1 59 437.449 4

Activity (Go SEA)

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