UCSF

ZINC19685118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 14 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) 0.19 0.1 -52.44 4 3 1 51 193.27 3
Hi High (pH 8-9.5) 0.19 -0.28 -6.63 3 3 0 49 192.262 3

Activity (Go SEA)

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