UCSF

ZINC31898664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 32 Yes

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) 3.55 12.36 -59.18 2 7 1 78 476.022 6
Hi High (pH 8-9.5) 3.55 9.92 -21.05 1 7 0 76 475.014 6

Activity (Go SEA)

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