UCSF

ZINC36643075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.00 9.25 -59.33 1 7 1 65 436.989 8
Hi High (pH 8-9.5) 4.00 6.85 -19.53 0 7 0 63 435.981 8

Activity (Go SEA)

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