UCSF

ZINC13099542

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 18 No

Popular Name: Ro-038799 Ro-038799

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CAS Number: 70132-50-2

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) 0.57 7.66 -51.48 2 7 1 88 255.298 5 ↓
Mid Mid (pH 6-8) 0.57 8.14 -95.87 3 7 2 90 256.306 5 ↓

Activity (Go SEA)

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