UCSF

ZINC44871314

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 22 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) 1.82 3.12 -37.7 4 6 1 86 306.386 7
Hi High (pH 8-9.5) 1.82 1.14 -15.25 3 6 0 85 305.378 7

Activity (Go SEA)

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