UCSF

ZINC04098317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 21 No

CAS Number: 51481-10-8

Download: MOL2 SDF SMILES Flexibase

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) -0.97 -2.21 -13.48 3 6 0 100 296.319 1
Hi High (pH 8-9.5) -0.97 -1.49 -66.47 2 6 -1 102 295.311 1

Activity (Go SEA)

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