UCSF

ZINC34874909

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -4.26 0.04 -138.35 13 14 1 262 515.636 18
Hi High (pH 8-9.5) -4.26 -0.86 -77.35 12 14 0 260 514.628 18
Mid Mid (pH 6-8) -4.36 -0.16 -79.05 12 14 0 263 514.628 17

Activity (Go SEA)

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