UCSF

ZINC43481991

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 27 No

Popular Name: LS-74612 LS-74612

Find On: PubMed — Wikipedia — Google

CAS Number: 36950-85-3

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) 4.06 7.17 -49.95 3 5 -1 101 381.533 14 ↓
Lo Low (pH 4.5-6) 4.06 5.19 -9.65 4 5 0 98 382.541 14 ↓

Activity (Go SEA)

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