UCSF

ZINC86860251

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 28 No

CAS Number: 751-97-3

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) 0.12 4.59 -46.97 3 7 0 119 385.416 1
Hi High (pH 8-9.5) 1.15 2.37 -127.65 2 7 -2 124 383.4 1
Mid Mid (pH 6-8) 0.12 2.85 -17.21 2 7 0 118 384.408 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.