UCSF

ZINC36175632

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 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) 1.24 6.58 -12.6 0 7 0 58 368.437 4
Mid Mid (pH 6-8) 1.24 8.63 -57.34 1 7 1 59 369.445 4
Lo Low (pH 4.5-6) 1.24 9.07 -104.91 2 7 2 61 370.453 4

Activity (Go SEA)

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