UCSF

ZINC36128274

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 0.44 0.99 -92.74 5 5 2 65 281.4 7
Hi High (pH 8-9.5) 0.44 -1.66 -6.51 3 5 0 62 279.384 7
Mid Mid (pH 6-8) 0.44 -1.26 -46.68 4 5 1 64 280.392 7
Mid Mid (pH 6-8) 0.44 1.07 -87.32 5 5 2 65 281.4 7

Activity (Go SEA)

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