UCSF

ZINC36360904

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 3.88 6.52 -10.18 1 7 0 98 349.412 4
Ref Reference (pH 7) 2.96 7 -7.21 1 7 0 94 349.412 5
Hi High (pH 8-9.5) 3.02 5.47 -41.61 0 7 -1 101 348.404 5

Activity (Go SEA)

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