UCSF

ZINC36980239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.82 9.09 -36.11 2 3 1 43 264.389 7
Hi High (pH 8-9.5) 3.82 8.11 -3.93 1 3 0 38 263.381 7

Activity (Go SEA)

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