UCSF

ZINC53915198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.62 7.42 -15.62 2 5 0 70 362.376 7
Hi High (pH 8-9.5) 2.62 8.43 -56.53 1 5 -1 72 361.368 7

Activity (Go SEA)

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