UCSF

ZINC49088587

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 17 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) -3.91 1.35 -105.61 5 7 1 122 242.255 4
Hi High (pH 8-9.5) -3.91 -0.08 -67.16 4 7 0 117 241.247 4

Activity (Go SEA)

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