UCSF

ZINC36287912

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 1.42 1.76 -10.18 2 6 0 84 281.337 4
Hi High (pH 8-9.5) 1.42 1.88 -39.43 1 6 -1 86 280.329 4

Activity (Go SEA)

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