UCSF

ZINC37102358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.29 6.49 -5.21 2 3 0 35 302.805 4
Hi High (pH 8-9.5) 4.29 7.25 -39.21 1 3 -1 38 301.797 4

Activity (Go SEA)

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