UCSF

ZINC37088152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.75 10.8 -30.66 2 3 0 57 303.427 8
Hi High (pH 8-9.5) 3.75 9.81 -41.79 1 3 -1 52 302.419 8

Activity (Go SEA)

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