UCSF

ZINC37803049

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.99 -0.94 -49.9 4 6 1 80 255.342 5
Hi High (pH 8-9.5) -0.99 -1.28 -14.25 3 6 0 79 254.334 5
Mid Mid (pH 6-8) -0.99 1.21 -104.58 5 6 2 81 256.35 5

Activity (Go SEA)

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