UCSF

ZINC36783378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 2.09 7.04 -127.96 4 2 2 32 238.35 5
Hi High (pH 8-9.5) 2.09 6.7 -33.36 3 2 1 30 237.342 5
Hi High (pH 8-9.5) 2.09 4.86 -47.61 3 2 1 31 237.342 5

Activity (Go SEA)

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