UCSF

ZINC37010414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 No

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) 3.62 10.74 -45.26 2 4 1 62 305.785 6
Hi High (pH 8-9.5) 3.62 9.53 -8.18 1 4 0 58 304.777 6

Activity (Go SEA)

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