UCSF

ZINC36327528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 3.02 7.96 -30.41 1 5 0 67 286.331 3
Hi High (pH 8-9.5) 3.02 7.59 -59.26 0 5 -1 65 285.323 3

Activity (Go SEA)

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