UCSF

ZINC36785084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 12 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) -0.30 1.1 -101.2 5 3 2 52 174.288 5
Hi High (pH 8-9.5) -0.30 1.66 -43.49 4 3 1 55 173.28 5
Mid Mid (pH 6-8) -0.30 0.64 -31.96 4 3 1 51 173.28 5

Activity (Go SEA)

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