UCSF

ZINC01200331

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 28 No

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Annotations

None

Vendors

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) 2.56 5.4 -47.95 0 7 -1 93 379.392 5
Mid Mid (pH 6-8) 2.11 7.83 -12.29 1 7 0 90 380.4 5

Activity (Go SEA)

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