UCSF

ZINC37321612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 6.65 12.51 -116.75 3 2 2 21 300.575 14
Hi High (pH 8-9.5) 6.65 11.12 -36.33 2 2 1 16 299.567 14
Hi High (pH 8-9.5) 6.65 12.16 -34.93 2 2 1 20 299.567 14

Activity (Go SEA)

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