UCSF

ZINC70596330

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 1.74 6.11 -82.16 3 3 2 24 231.428 11
Mid Mid (pH 6-8) 1.74 8.6 -161.57 4 3 3 25 232.436 11
Mid Mid (pH 6-8) 1.74 6.28 -76.12 3 3 2 24 231.428 11

Activity (Go SEA)

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