UCSF

ZINC44813398

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 18 No

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) 1.14 1.34 -19.03 2 6 0 103 243.222 2
Hi High (pH 8-9.5) 1.29 -1.29 -65.67 1 6 -1 106 242.214 2

Activity (Go SEA)

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