UCSF

ZINC01445618

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 32 No

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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) 4.60 12.03 -50.67 0 7 -1 106 431.399 5
Mid Mid (pH 6-8) 5.04 2.04 -27.55 1 7 0 103 432.407 4
Mid Mid (pH 6-8) 4.01 2.34 -16.55 0 7 0 100 432.407 5

Activity (Go SEA)

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