UCSF

ZINC37267281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 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) 1.64 3.97 -78.14 5 4 2 57 208.309 2
Hi High (pH 8-9.5) 1.64 3.47 -38.69 4 4 1 55 207.301 2

Activity (Go SEA)

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