UCSF

ZINC36888256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 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) 1.86 3.05 -50.07 2 4 1 56 226.206 3
Hi High (pH 8-9.5) 1.86 1.59 -6.81 1 4 0 51 225.198 3

Activity (Go SEA)

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