UCSF

ZINC37477449

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 0.79 4.42 -42.28 3 4 1 58 217.296 4
Hi High (pH 8-9.5) 0.79 3.18 -8.04 2 4 0 54 216.288 4
Hi High (pH 8-9.5) 0.79 3.23 -7.61 2 4 0 54 216.288 4

Activity (Go SEA)

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