UCSF

ZINC43411986

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 2.28 7.38 -49.99 3 4 1 48 251.329 3
Hi High (pH 8-9.5) 2.28 5.02 -7.63 2 4 0 47 250.321 3
Mid Mid (pH 6-8) 2.28 7.85 -94.73 4 4 2 50 252.337 3

Activity (Go SEA)

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