UCSF

ZINC00599089

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 36 No

CAS Numbers: 108687-08-7 , 108700-03-4

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) 5.11 13.74 -13.09 1 8 0 94 498.62 13
Mid Mid (pH 6-8) 5.11 15.91 -48.53 2 8 1 95 499.628 13

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