UCSF

ZINC36616843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 2.14 10.96 -18.07 1 9 0 103 412.457 4
Hi High (pH 8-9.5) 2.21 9.16 -43.99 0 9 -1 110 411.449 4

Activity (Go SEA)

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