UCSF

ZINC39856003

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.90 6.35 -40.04 6 8 1 131 361.451 4
Hi High (pH 8-9.5) 1.90 6.41 -19.26 5 8 0 129 360.443 4

Activity (Go SEA)

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