UCSF

ZINC36892097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.83 4.86 -59.89 4 4 1 74 263.361 6
Hi High (pH 8-9.5) 2.29 2.23 -80.9 3 4 0 77 262.353 6

Activity (Go SEA)

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