UCSF

ZINC19939287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 23 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) 2.18 6.76 -102.24 3 4 2 32 384.362 5
Hi High (pH 8-9.5) 2.18 1.89 -5 1 4 0 30 382.346 5
Mid Mid (pH 6-8) 2.18 4.52 -36.18 2 4 1 31 383.354 5
Mid Mid (pH 6-8) 2.18 6.92 -79.78 3 4 2 32 384.362 5
Mid Mid (pH 6-8) 2.18 4.3 -34.54 2 4 1 31 383.354 5

Activity (Go SEA)

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