UCSF

ZINC19840110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 1.95 3.62 -51.37 3 5 1 63 253.322 6
Hi High (pH 8-9.5) 1.95 4.64 -83.51 2 5 0 66 252.314 6

Activity (Go SEA)

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