UCSF

ZINC19831720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 23 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) 4.63 11.23 -33.79 1 2 1 8 313.509 3
Hi High (pH 8-9.5) 4.63 8.99 -1.74 0 2 0 6 312.501 3
Hi High (pH 8-9.5) 4.63 11.27 -36.79 1 2 1 8 313.509 3

Activity (Go SEA)

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