UCSF

ZINC60253479

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 23 No

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) -1.19 0.41 -109.11 5 7 2 76 334.505 8
Hi High (pH 8-9.5) -1.19 -2.32 -5.51 3 7 0 67 332.489 8
Hi High (pH 8-9.5) -1.19 -1.27 -46.2 4 7 1 72 333.497 8
Mid Mid (pH 6-8) -1.19 -0.97 -45.34 4 7 1 72 333.497 8

Activity (Go SEA)

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