UCSF

ZINC44865627

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) 1.79 4.64 -48 4 6 1 83 299.439 6
Hi High (pH 8-9.5) 1.79 1.94 -4.95 3 6 0 82 298.431 6

Activity (Go SEA)

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