UCSF

ZINC36358002

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) 3.00 5.5 -9.53 2 5 0 71 384.233 2
Ref Reference (pH 7) 2.81 8.16 -10.09 2 5 0 67 384.233 2
Lo Low (pH 4.5-6) 2.81 8.62 -46.19 3 5 1 68 385.241 2

Activity (Go SEA)

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