UCSF

ZINC40185034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.18 10.92 -11.97 1 6 0 69 414.509 8
Mid Mid (pH 6-8) 4.18 11.48 -30.6 2 6 1 70 415.517 8

Activity (Go SEA)

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