UCSF

ZINC08830624

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 22 No

Popular Name: LS-187145 LS-187145

Find On: PubMed — Wikipedia — Google

CAS Number: 66104-22-1

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) 3.97 11.25 -35.37 2 2 1 20 315.506 4 ↓
Hi High (pH 8-9.5) 3.97 9.42 -6.01 1 2 0 19 314.498 4 ↓

Activity (Go SEA)

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