UCSF

ZINC42589551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 26 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) 0.74 5.17 -43.01 2 7 1 74 361.466 6
Hi High (pH 8-9.5) 0.74 2.89 -14.86 1 7 0 73 360.458 6

Activity (Go SEA)

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